phenethyl 2-[1-(3-bromanyl-4-propoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-(3-bromanyl-4-propoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(3-bromo-4-propoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-propoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-(3-bromo-4-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-propoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C24H27BrN2O5 MolecularWeight: 503.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H27BrN2O5/c1-2-13-31-21-9-8-18(15-19(21)25)24(30)27-12-11-26-23(29)20(27)16-22(28)32-14-10-17-6-4-3-5-7-17/h3-9,15,20H,2,10-14,16H2,1H3,(H,26,29)